 | | 04X | | 表記: | (2S)-5-(morpholin-4-ylmethyl)-1,2,3,6-tetrahydropyridine-2-carboxylic acid | | 組成式: | C11 H18 N2 O3 | | SMILES: | O=C(O)C1NCC(=CC1)CN2CCOCC2 | | InChi: | InChI=1S/C11H18N2O3/c14-11(15)10-2-1-9(7-12-10)8-13-3-5-16-6-4-13/h1,10,12H,2-8H2,(H,14,15)/t10-/m0/s1 | | 定義日: | 2014-06-19 | | 最終更新日: | 2023-11-03 | | 公開日: | 2014-07-30 | | 識別子（ID）: | (2S)-5-(morpholin-4-ylmethyl)-1,2,3,6-tetrahydropyridine-2-carboxylic acid |
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 | | Y1V | | 表記: | (4R)-5-amino-L-leucine | | 組成式: | C6 H14 N2 O2 | | SMILES: | C(O)(=O)C(CC(CN)C)N | | InChi: | InChI=1S/C6H14N2O2/c1-4(3-7)2-5(8)6(9)10/h4-5H,2-3,7-8H2,1H3,(H,9,10)/t4-,5+/m1/s1 | | 定義日: | 2021-01-27 | | 最終更新日: | 2023-11-03 | | 公開日: | 2021-08-11 | | 識別子（ID）: | (4R)-5-amino-L-leucine |
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 | | NIJ | | 表記: | 3-(3-fluorophenyl)-N-(4-methylpyridin-3-yl)propanamide | | 組成式: | C15 H15 F N2 O | | SMILES: | O=C(Nc1cnccc1C)CCc1cccc(F)c1 | | InChi: | InChI=1S/C15H15FN2O/c1-11-7-8-17-10-14(11)18-15(19)6-5-12-3-2-4-13(16)9-12/h2-4,7-10H,5-6H2,1H3,(H,18,19) | | 定義日: | 2023-08-16 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-11-08 | | 識別子（ID）: | 3-(3-fluorophenyl)-N-(4-methylpyridin-3-yl)propanamide |
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 | | VQ0 | | 表記: | 3-chloro-5-{4-chloro-2-[2-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}benzonitrile | | 組成式: | C19 H12 Cl3 N3 O4 | | SMILES: | N#Cc1cc(cc(Cl)c1)Oc1ccc(Cl)cc1OCCN1C=C(Cl)C(=O)NC1=O | | InChi: | InChI=1S/C19H12Cl3N3O4/c20-12-1-2-16(29-14-6-11(9-23)5-13(21)7-14)17(8-12)28-4-3-25-10-15(22)18(26)24-19(25)27/h1-2,5-8,10H,3-4H2,(H,24,26,27) | | 定義日: | 2023-09-15 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-11-08 | | 識別子（ID）: | 3-chloro-5-{4-chloro-2-[2-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}benzonitrile |
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 | | Y1Y | | 表記: | 3-amino-2,3-dideoxy-5-O-(5-methylthiophene-2-carbonyl)-D-erythro-pentonic acid | | 組成式: | C11 H15 N O5 S | | SMILES: | Cc1sc(cc1)C(=O)OCC(C(N)CC(O)=O)O | | InChi: | InChI=1S/C11H15NO5S/c1-6-2-3-9(18-6)11(16)17-5-8(13)7(12)4-10(14)15/h2-3,7-8,13H,4-5,12H2,1H3,(H,14,15)/t7-,8+/m0/s1 | | 定義日: | 2020-06-02 | | 最終更新日: | 2023-11-03 | | 公開日: | 2021-06-02 | | 識別子（ID）: | 3-amino-2,3-dideoxy-5-O-(5-methylthiophene-2-carbonyl)-D-erythro-pentonic acid |
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 | | PLF | | 表記: | 2-[5-(1-AMINO-2-METHYL-BUTYL)-[1,2,3]TRIAZOL-1-YL]-PROPIONIC ACID | | 組成式: | C9 H14 N4 O2 | | SMILES: | O=C(O)C(n1nnc(c1)C2NCCC2)C | | InChi: | InChI=1S/C9H14N4O2/c1-6(9(14)15)13-5-8(11-12-13)7-3-2-4-10-7/h5-7,10H,2-4H2,1H3,(H,14,15)/t6-,7-/m0/s1 | | 定義日: | 2011-12-08 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | (2S)-2-{4-[(2S)-pyrrolidin-2-yl]-1H-1,2,3-triazol-1-yl}propanoic acid |
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 | | OCI | | 表記: | 2-(3-chloro-5-sulfamamidophenyl)-N-(4-methylpyridin-3-yl)acetamide | | 組成式: | C14 H15 Cl N4 O3 S | | SMILES: | O=C(Nc1cnccc1C)Cc1cc(NS(N)(=O)=O)cc(Cl)c1 | | InChi: | InChI=1S/C14H15ClN4O3S/c1-9-2-3-17-8-13(9)18-14(20)6-10-4-11(15)7-12(5-10)19-23(16,21)22/h2-5,7-8,19H,6H2,1H3,(H,18,20)(H2,16,21,22) | | 定義日: | 2023-08-17 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-11-08 | | 識別子（ID）: | 2-(3-chloro-5-sulfamamidophenyl)-N-(4-methylpyridin-3-yl)acetamide |
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 | | P6O | | 表記: | (4S)-6-chloro-4-hydroxy-N-(isoquinolin-4-yl)-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide | | 組成式: | C19 H14 Cl N3 O3 | | SMILES: | Clc1ccc2NC(=O)CC(O)(c2c1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C19H14ClN3O3/c20-12-5-6-15-14(7-12)19(26,8-17(24)22-15)18(25)23-16-10-21-9-11-3-1-2-4-13(11)16/h1-7,9-10,26H,8H2,(H,22,24)(H,23,25)/t19-/m0/s1 | | 定義日: | 2023-08-18 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-11-08 | | 識別子（ID）: | (4S)-6-chloro-4-hydroxy-N-(isoquinolin-4-yl)-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide |
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 | | 5R0 | | 表記: | 4-~{tert}-butylbenzoic acid | | 組成式: | C11 H14 O2 | | SMILES: | CC(C)(C)c1ccc(cc1)C(O)=O | | InChi: | InChI=1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13) | | 定義日: | 2015-11-12 | | 最終更新日: | 2023-11-03 | | 公開日: | 2015-12-16 | | 識別子（ID）: | 4-tert-butylbenzoic acid |
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 | | T9E | | 表記: | Selenothreonine | | 組成式: | C4 H9 N O2 Se | | SMILES: | C[CH]([SeH])[CH](N)C(O)=O | | InChi: | InChI=1S/C4H9NO2Se/c1-2(8)3(5)4(6)7/h2-3,8H,5H2,1H3,(H,6,7)/t2-,3+/m1/s1 | | 定義日: | 2018-02-17 | | 最終更新日: | 2023-11-03 | | 公開日: | 2019-02-20 | | 識別子（ID）: | (2~{R},3~{R})-2-azanyl-3-selanyl-butanoic acid |
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 | | NX9 | | 表記: | 2-(3-chlorophenyl)-N-(1H-pyrazol-4-yl)acetamide | | 組成式: | C11 H10 Cl N3 O | | SMILES: | O=C(Cc1cccc(Cl)c1)Nc1c[NH]nc1 | | InChi: | InChI=1S/C11H10ClN3O/c12-9-3-1-2-8(4-9)5-11(16)15-10-6-13-14-7-10/h1-4,6-7H,5H2,(H,13,14)(H,15,16) | | 定義日: | 2023-08-16 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-11-08 | | 識別子（ID）: | 2-(3-chlorophenyl)-N-(1H-pyrazol-4-yl)acetamide |
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 | | PLJ | | 表記: | methyl L-prolinate | | 組成式: | C6 H11 N O2 | | SMILES: | O=C(OC)C1NCCC1 | | InChi: | InChI=1S/C6H11NO2/c1-9-6(8)5-3-2-4-7-5/h5,7H,2-4H2,1H3/t5-/m0/s1 | | 定義日: | 2011-12-12 | | 最終更新日: | 2023-11-03 | | 公開日: | 2012-11-16 | | 識別子（ID）: | methyl L-prolinate |
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 | | P6S | | 表記: | benzyl hydrogen carbonate | | 組成式: | C8 H8 O3 | | SMILES: | C(OC(=O)O)c1ccccc1 | | InChi: | InChI=1S/C8H8O3/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10) | | 定義日: | 2019-08-02 | | 最終更新日: | 2023-11-03 | | 公開日: | 2020-02-05 | | 識別子（ID）: | benzyl hydrogen carbonate |
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 | | 5R5 | | 表記: | methyl L-serinate | | 組成式: | C4 H9 N O3 | | SMILES: | NC(C(=O)OC)CO | | InChi: | InChI=1S/C4H9NO3/c1-8-4(7)3(5)2-6/h3,6H,2,5H2,1H3/t3-/m0/s1 | | 別名: | methyl (2~{S})-2-azanyl-3-oxidanyl-propanoate | | 定義日: | 2015-11-13 | | 最終更新日: | 2023-11-03 | | 公開日: | 2015-12-16 | | 識別子（ID）: | methyl L-serinate |
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 | | U2M | | 表記: | (2S)-2-amino-7-sulfanylheptanoic acid | | 組成式: | C7 H15 N O2 S | | SMILES: | NC(C(O)=O)CCCCCS | | InChi: | InChI=1S/C7H15NO2S/c8-6(7(9)10)4-2-1-3-5-11/h6,11H,1-5,8H2,(H,9,10)/t6-/m0/s1 | | 定義日: | 2020-04-09 | | 最終更新日: | 2023-11-03 | | 公開日: | 2021-04-21 | | 識別子（ID）: | (2S)-2-amino-7-sulfanylheptanoic acid |
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 | | OCQ | | 表記: | (3S)-3-[(2S)-2-AMINO-4-HYDROXY-3-OXOBUTYL]PYRROLIDIN-2-ONE | | 組成式: | C8 H14 N2 O3 | | SMILES: | O=C1NCCC1CC(N)C(=O)CO | | InChi: | InChI=1S/C8H14N2O3/c9-6(7(12)4-11)3-5-1-2-10-8(5)13/h5-6,11H,1-4,9H2,(H,10,13)/t5-,6-/m0/s1 | | 定義日: | 2007-06-07 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | (3S)-3-[(2S)-2-amino-4-hydroxy-3-oxobutyl]pyrrolidin-2-one |
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 | | ZNY | | 表記: | (4R)-4-ethoxy-L-proline | | 組成式: | C7 H13 N O3 | | SMILES: | CCOC1CC(NC1)C(=O)O | | InChi: | InChI=1S/C7H13NO3/c1-2-11-5-3-6(7(9)10)8-4-5/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6+/m1/s1 | | 定義日: | 2021-05-12 | | 最終更新日: | 2023-11-03 | | 公開日: | 2022-03-02 | | 識別子（ID）: | (4R)-4-ethoxy-L-proline |
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 | | OCS | | 表記: | CYSTEINESULFONIC ACID | | 組成式: | C3 H7 N O5 S | | SMILES: | O=S(=O)(O)CC(C(=O)O)N | | InChi: | InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | 3-sulfo-L-alanine |
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 | | NIY | | 表記: | META-NITRO-TYROSINE | | 組成式: | C9 H10 N2 O5 | | SMILES: | O=[N+]([O-])c1cc(ccc1O)CC(C(=O)O)N | | InChi: | InChI=1S/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)/t6-/m0/s1 | | 定義日: | 2001-10-24 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | 3-nitro-L-tyrosine |
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 | | X5H | | 表記: | (~{E})-6-(2-hydroxy-2-oxoethylamino)hex-4-enoic acid | | 組成式: | C8 H13 N O4 | | SMILES: | OC(=O)CCC=CCNCC(O)=O | | InChi: | InChI=1S/C8H13NO4/c10-7(11)4-2-1-3-5-9-6-8(12)13/h1,3,9H,2,4-6H2,(H,10,11)(H,12,13)/b3-1+ | | 定義日: | 2023-05-31 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-06-07 | | 識別子（ID）: | (~{E})-6-(2-hydroxy-2-oxoethylamino)hex-4-enoic acid |
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 | | Q0I | | 表記: | (4R)-6-chloro-N-(isoquinolin-4-yl)-N-propanoyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | 組成式: | C22 H19 Cl N2 O3 | | SMILES: | CCC(=O)N(c1cncc2ccccc21)C(=O)C1CCOc2ccc(Cl)cc21 | | InChi: | InChI=1S/C22H19ClN2O3/c1-2-21(26)25(19-13-24-12-14-5-3-4-6-16(14)19)22(27)17-9-10-28-20-8-7-15(23)11-18(17)20/h3-8,11-13,17H,2,9-10H2,1H3/t17-/m1/s1 | | 定義日: | 2023-08-18 | | 最終更新日: | 2023-11-03 | | 公開日: | 2023-11-08 | | 識別子（ID）: | (4R)-6-chloro-N-(isoquinolin-4-yl)-N-propanoyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | SUI | | 表記: | (3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACID | | 組成式: | C6 H8 N2 O4 | | SMILES: | O=C1N(C(=O)CC1N)CC(=O)O | | InChi: | InChI=1S/C6H8N2O4/c7-3-1-4(9)8(6(3)12)2-5(10)11/h3H,1-2,7H2,(H,10,11)/t3-/m0/s1 | | 定義日: | 2001-08-20 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | [(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]acetic acid |
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 | | SUJ | | 表記: | (2R,3R)-2-[(3S,6R)-3-AMINO-6-HYDROXY-2-OXOPIPERIDINYL]-3-HYDROXYBUTANOIC ACID | | 組成式: | C9 H16 N2 O5 | | SMILES: | O=C(O)C(N1C(=O)C(N)CCC1O)C(O)C | | InChi: | InChI=1S/C9H16N2O5/c1-4(12)7(9(15)16)11-6(13)3-2-5(10)8(11)14/h4-7,12-13H,2-3,10H2,1H3,(H,15,16)/t4-,5+,6-,7+/m1/s1 | | 定義日: | 2003-07-31 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | (2S,3R)-2-[(3S,6R)-3-amino-6-hydroxy-2-oxopiperidin-1-yl]-3-hydroxybutanoic acid |
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 | | PLW | | 表記: | (2S)-2-[5-(1S,2S)-(1-AMINO-2-METHYL-BUTYL)-[1,2,3]TRIAZOL-1-YL]-PROPIONIC ACID | | 組成式: | C10 H18 N4 O2 | | SMILES: | O=C(O)C(n1nncc1C(N)C(C)CC)C | | InChi: | InChI=1S/C10H18N4O2/c1-4-6(2)9(11)8-5-12-13-14(8)7(3)10(15)16/h5-7,9H,4,11H2,1-3H3,(H,15,16)/t6-,7-,9-/m0/s1 | | 定義日: | 2011-12-08 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | (2S)-2-{5-[(1S,2S)-1-amino-2-methylbutyl]-1H-1,2,3-triazol-1-yl}propanoic acid |
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 | | OCY | | 表記: | HYDROXYETHYLCYSTEINE | | 組成式: | C5 H11 N O3 S | | SMILES: | O=C(O)C(N)CSCCO | | InChi: | InChI=1S/C5H11NO3S/c6-4(5(8)9)3-10-2-1-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2023-11-03 | | 識別子（ID）: | S-(2-hydroxyethyl)-L-cysteine |
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